(2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide

C117H129F3N24O10 — CID 159448545

About (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide

(2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 159448545) has the molecular formula C117H129F3N24O10 and a molecular weight of 2088.47 g/mol. Its IUPAC name is (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 159448545
• Molecular Formula: C117H129F3N24O10
• Molecular Weight: 2088.47 g/mol
• Exact Mass: 2087.03
• IUPAC Name: (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
• SMILES: C[C@H](C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)C(C)(C)O.C[C@H](C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)[C@@](C)(O)c1ccccc1.[C-]#[N+]c1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1
• InChI: InChI=1S/C23H24N4O2.C22H22N4O2.C19H22N4O2.C18H22N4O2.C18H22N4O.C17H17F3N4O/c1-15(23(2,29)17-7-4-3-5-8-17)21(28)26-22-25-19-12-11-16(14-24)13-20(19)27(22)18-9-6-10-18;1-22(28,15-7-4-3-5-8-15)14-20(27)25-21-24-18-12-11-16(23-2)13-19(18)26(21)17-9-6-10-17;1-19(2,25)14-10-13(14)17(24)22-18-21-15-8-7-11(20-3)9-16(15)23(18)12-5-4-6-12;1-11(18(2,3)24)16(23)21-17-20-14-8-7-12(10-19)9-15(14)22(17)13-5-4-6-13;1-11(2)12(3)17(23)21-18-20-15-9-8-13(19-4)10-16(15)22(18)14-6-5-7-14;1-16(2,17(18,19)20)14(25)23-15-22-12-8-7-10(21-3)9-13(12)24(15)11-5-4-6-11/h3-5,7-8,11-13,15,18,29H,6,9-10H2,1-2H3,(H,25,26,28);3-5,7-8,11-13,17,28H,6,9-10,14H2,1H3,(H,24,25,27);7-9,12-14,25H,4-6,10H2,1-2H3,(H,21,22,24);7-9,11,13,24H,4-6H2,1-3H3,(H,20,21,23);8-12,14H,5-7H2,1-3H3,(H,20,21,23);7-9,11H,4-6H2,1-2H3,(H,22,23,25)/t15-,23-;;13-,14-;11-;12-;/m1.011./s1
• InChIKey: LTBMEKAMKZHSSR-BRILOARASA-N
• XLogP: 24.68
• TPSA: 427.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.47
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide (CID 159448545) is (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide is C[C@H](C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)C(C)(C)O.C[C@H](C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)[C@@](C)(O)c1ccccc1.[C-]#[N+]c1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1.

What is the InChIKey of (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The InChIKey is LTBMEKAMKZHSSR-BRILOARASA-N. The full InChI is InChI=1S/C23H24N4O2.C22H22N4O2.C19H22N4O2.C18H22N4O2.C18H22N4O.C17H17F3N4O/c1-15(23(2,29)17-7-4-3-5-8-17)21(28)26-22-25-19-12-11-16(14-24)13-20(19)27(22)18-9-6-10-18;1-22(28,15-7-4-3-5-8-15)14-20(27)25-21-24-18-12-11-16(23-2)13-19(18)26(21)17-9-6-10-17;1-19(2,25)14-10-13(14)17(24)22-18-21-15-8-7-11(20-3)9-16(15)23(18)12-5-4-6-12;1-11(18(2,3)24)16(23)21-17-20-14-8-7-12(10-19)9-15(14)22(17)13-5-4-6-13;1-11(2)12(3)17(23)21-18-20-15-9-8-13(19-4)10-16(15)22(18)14-6-5-7-14;1-16(2,17(18,19)20)14(25)23-15-22-12-8-7-10(21-3)9-13(12)24(15)11-5-4-6-11/h3-5,7-8,11-13,15,18,29H,6,9-10H2,1-2H3,(H,25,26,28);3-5,7-8,11-13,17,28H,6,9-10,14H2,1H3,(H,24,25,27);7-9,12-14,25H,4-6,10H2,1-2H3,(H,21,22,24);7-9,11,13,24H,4-6H2,1-3H3,(H,20,21,23);8-12,14H,5-7H2,1-3H3,(H,20,21,23);7-9,11H,4-6H2,1-2H3,(H,22,23,25)/t15-,23-;;13-,14-;11-;12-;/m1.011./s1.

What are the key properties of (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

(2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 2088.47 g/mol, XLogP of 24.68, 25 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159448545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).